General Information of the Compound
| Compound ID |
CP0503286
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| Compound Name |
(2R,3R,4S,5S,6R)-2-[5-chloro-4-[(4-methylsulfanylphenyl)methyl]thiophen-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
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| Structure |
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| Formula |
C18H21ClO5S2
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| Molecular Weight |
416.948
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| Canonical SMILES |
CSc1ccc(Cc2cc(sc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C18H21ClO5S2/c1-25-11-4-2-9(3-5-11)6-10-7-13(26-18(10)19)17-16(23)15(22)14(21)12(8-20)24-17/h2-5,7,12,14-17,20-23H,6,8H2,1H3/t12-,14-,15+,16-,17+/m1/s1
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| InChIKey |
OEHIDBCDQAUDJR-CMZRPVNOSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound